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89508-53-2 | 2,2'-Bipyrimidine, 4,6-dichloro-
CAS No: 89508-53-2 Catalog No: AG0041EI MDL No:
Product Description
Catalog Number:
AG0041EI
Chemical Name:
2,2'-Bipyrimidine, 4,6-dichloro-
CAS Number:
89508-53-2
Molecular Formula:
C8H4Cl2N4
Molecular Weight:
227.0502
IUPAC Name:
4,6-dichloro-2-pyrimidin-2-ylpyrimidine
InChI:
InChI=1S/C8H4Cl2N4/c9-5-4-6(10)14-8(13-5)7-11-2-1-3-12-7/h1-4H
InChI Key:
HFXJMBMESGFEQW-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)nc(n1)c1ncccn1
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.981g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.048g/mol
Monoisotopic Mass:
225.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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